2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline

C12H15ClFN — CID 61343734

IUPAC2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-11-7-10(14)5-6-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyWHIRZLFZCJHRGP-UHFFFAOYSA-N
MW227.71 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline

2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline (PubChem CID 61343734) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
PubChem CID61343734
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-11-7-10(14)5-6-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyWHIRZLFZCJHRGP-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline (CID 61343734) is 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline is Fc1ccc(NCC2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline?
The InChIKey is WHIRZLFZCJHRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-7-10(14)5-6-12(11)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline?
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline has a molecular weight of 227.71 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline is sourced from PubChem (CID 61343734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).